{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5753738000000002 -1.1755902000000003 0.6332385000000001 ] [ -0.4033483000000001 0.20295100000000005 0.5318217000000001 ] [ 0.36401000000000006 0.03741660000000001 -0.35968990000000006 ] [ -1.4266096000000001 1.8680939000000005 -1.5103249000000005 ] [ -0.046570600000000004 0.005578900000000001 -0.12420200000000003 ] [ -1.4798336000000003 0.29355320000000007 -0.37331610000000004 ] [ -0.18993980000000005 -3.4901107000000007 -0.9501409000000002 ] [ 2.6069181000000006 2.2581073000000003 2.1526136000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.218504505808553e-10 -1.883503134081597e-09 1.014559920090461e-09 ] [ -6.462352162994249e-10 3.251633473679809e-10 8.520722941741115e-10 ] [ 5.83208311737408e-10 5.994800174982529e-11 -5.7628674851789e-10 ] [ -2.28568054812884e-09 2.993016372039094e-09 -2.419807244592099e-09 ] [ -7.461432653662849e-11 8.938383149781123e-12 -1.989935406566017e-10 ] [ -2.3709547965943e-09 4.703240740010267e-10 -5.98118327588235e-10 ] [ -3.043171069194279e-10 -5.591773767543924e-09 -1.522293536445871e-09 ] [ 4.176743232160358e-09 3.617886723317812e-09 3.448867183536124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -59.360974 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.510676473071666e-18 } }